| SpectraBase Compound ID | Gy0BNnHYGfx |
|---|---|
| InChI | InChI=1S/C14H20BrNO2/c15-11-7-2-1-4-10-14(12-16(17)18)13-8-5-3-6-9-13/h3,5-6,8-9,14H,1-2,4,7,10-12H2 |
| InChIKey | KWPBUONNVUJNJH-UHFFFAOYSA-N |
| Mol Weight | 314.22 g/mol |
| Molecular Formula | C14H20BrNO2 |
| Exact Mass | 313.067742 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KN8AS7PwNc1 |
|---|---|
| Name | 8-Bromo-1-nitro-2-phenyloctane |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 313.067741886 u |
| Formula | C14H20BrNO2 |
| InChI | InChI=1S/C14H20BrNO2/c15-11-7-2-1-4-10-14(12-16(17)18)13-8-5-3-6-9-13/h3,5-6,8-9,14H,1-2,4,7,10-12H2 |
| InChIKey | KWPBUONNVUJNJH-UHFFFAOYSA-N |
| Molecular Weight | 314.223 g/mol |
| SMILES | C(N(=O)=O)C(C=1C=CC=CC1)CCCCCCBr |